N-[4-(dimethylamino)butyl]-N',N'-dimethylbutane-1,4-diamine
PubChem CID: 547280
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| Compound Synonyms | 17232-87-0, N-[4-(dimethylamino)butyl]-N',N'-dimethylbutane-1,4-diamine, N'-[4-(Dimethylamino)butyl]-N,N-dimethyl-1,4-butanediamine, N/'-[4-(Dimethylamino)butyl]-N,N-dimethyl-1,4-butanediamine, Dibutylamine, 4,4'-bis(dimethylamino)-, SCHEMBL756103, DTXSID70338180, QUMHDXJIDPCZCB-UHFFFAOYSA-N, 1,4-Butanediamine, N'-[4-(dimethylamino)butyl]-N,N-dimethyl-, 4,4'-Bis(dimethylamino)dibutylamine, 8CI, 2,7,12-Triazatridecane, 2,12-dimethyl-, (4-{[4-(DIMETHYLAMINO)BUTYL]AMINO}BUTYL)DIMETHYLAMINE, N'-[4-(Dimethylamino)butyl]-N,N-dimethyl-1,4-butanediamine, 9CI |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Description | Constituent of the roots of Cyphomandra betacea (tree tomato). Solamine is found in fruits and potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[4-(dimethylamino)butyl]-N',N'-dimethylbutane-1,4-diamine |
| Nih Violation | False |
| Class | Organonitrogen compounds |
| Xlogp | 1.3 |
| Superclass | Organic nitrogen compounds |
| Is Pains | False |
| Subclass | Amines |
| Molecular Formula | C12H29N3 |
| Inchi Key | QUMHDXJIDPCZCB-UHFFFAOYSA-N |
| Rotatable Bond Count | 10.0 |
| Synonyms | 4,4'-Bis(dimethylamino)dibutylamine, 8CI, N'-[4-(Dimethylamino)butyl]-N,N-dimethyl-1,4-butanediamine, 9CI, 4,4'-Bis(dimethylamino)dibutylamine, 8ci, N'-[4-(dimethylamino)butyl]-N,N-dimethyl-1,4-butanediamine, 9ci |
| Compound Name | N-[4-(dimethylamino)butyl]-N',N'-dimethylbutane-1,4-diamine |
| Kingdom | Organic compounds |
| Exact Mass | 215.236 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 215.236 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 215.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3 |
| Smiles | CN(C)CCCCNCCCCN(C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Trialkylamines |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all